methyl 4-[(E)-tridec-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-tridec-1-enyl]benzoate Openeye Name: methyl 4-[(E)-tridec-1-enyl]benzoate CAS Name: 4-[(E)-tridec-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-tridec-1-enyl]benzoate Traditional Name: 4-[(E)-tridec-1-enyl]benzoic acid methyl ester Formula: C21H32O2 MolecularWeight: 316.47758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC=CC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCCCCCCCCCC/C=C/C1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C21H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-15-17-20(18-16-19)21(22)23-2/h13-18H,3-12H2,1-2H3/b14-13+